328901
2-Nitro-4-(trifluoromethyl)benzoic acid
98%
Synonym(s):
2-Nitro-α,α,α-trifluor-p-toluic acid
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About This Item
Linear Formula:
O2NC6H3(CF3)CO2H
CAS Number:
Molecular Weight:
235.12
Beilstein:
1985588
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
98%
mp
134-138 °C (lit.)
functional group
carboxylic acid
fluoro
nitro
SMILES string
OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
InChI
1S/C8H4F3NO4/c9-8(10,11)4-1-2-5(7(13)14)6(3-4)12(15)16/h1-3H,(H,13,14)
InChI key
MYSAXQPTXWKDPQ-UHFFFAOYSA-N
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Application
2-Nitro-4-(trifluoromethyl)benzoic acid was used in preparation of 4-trifluoromethyl anthranilic acid.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Przemysław Szczeciński et al.
Acta biochimica Polonica, 55(4), 749-752 (2008-11-29)
Organic extracts of six urine samples from children treated with nitisinone, a medicine against tyrosinemia type I, were investigated by (1)H and (19)F NMR spectroscopy. The presence of unchanged 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC), 6-hydroxy-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC-OH) and 2-nitro-4-trifluoromethylbenzoic acid (NTFA) as well as
Hanna Barchanska et al.
Journal of pharmaceutical and biomedical analysis, 171, 15-21 (2019-04-09)
Nitisinone (2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione, NTBC) was the first synthetically produced triketone herbicide. However, its unsatisfactory herbicidal properties, negative impact on the natural environment and the high cost of synthesis have hindered its commercialization as a plant protection agent. Nevertheless, NTBC has become
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